Garib N. Murshudov

This paper develops a Bayesian framework to model radiation damage in cryo-EM datasets by inferring atomic displacements and structural changes during electron irradiation.

This paper introduces a Bayesian method to estimate atomic scattering factors from cryo-EM data, improving accuracy by incorporating molecular environment effects.

This study determines the structure of TbAQP2 bound to drugs and glycerol, revealing how mutations in the channel lead to drug resistance in Trypanosoma brucei.

The paper introduces In-Pocket, a computational method that validates and improves the chemical accuracy of protein-ligand binding interfaces using quantum mechanics and experimental data.

This study reports six LAT1 structures bound with ligands, revealing substrate recognition and inhibition mechanisms, including the role of JPH203 as an anticancer drug.

This paper proposes a single moving metal-ion mechanism for DNA-cleavage by type IIA topoisomerases using crystal structures of Staphylococcus aureus DNA gyrase complexes with gepotidacin and zolifodacin.

This paper extends the REFMAC5 program in the CCP4 suite to refine macromolecular models using neutron crystallographic data, improving the accuracy of hydrogen atom localization.

The paper introduces 3D-Strudel, a method for validating cryo-EM maps using resolution-dependent amino-acid motifs, and presents a visualization tool for results.

This paper models macromolecular atomic displacement parameters using a mixture of Shifted Inverse Gamma Distributions and introduces a local analysis method for detecting structural errors.